(2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate

C8H10O5-2 — CID 53471492

IUPAC(2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate
SMILESCC[C@@]1(C(=O)[O-])O[C@@]1(CC)C(=O)[O-]
InChIInChI=1S/C8H12O5/c1-3-7(5(9)10)8(4-2,13-7)6(11)12/h3-4H2,1-2H3,(H,9,10)(H,11,12)/p-2/t7-,8-/m0/s1
InChIKeyNQGWAXMPSOVQDK-YUMQZZPRSA-L
MW186.16 g/mol
LogP-2.19
Rot. Bonds4

About (2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate

(2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate (PubChem CID 53471492) has the molecular formula C8H10O5-2 and a molecular weight of 186.16 g/mol. Its IUPAC name is (2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate.

Molecular Properties

Compound Name(2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate
PubChem CID53471492
Molecular FormulaC8H10O5-2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate
SMILESCC[C@@]1(C(=O)[O-])O[C@@]1(CC)C(=O)[O-]
InChIInChI=1S/C8H12O5/c1-3-7(5(9)10)8(4-2,13-7)6(11)12/h3-4H2,1-2H3,(H,9,10)(H,11,12)/p-2/t7-,8-/m0/s1
InChIKeyNQGWAXMPSOVQDK-YUMQZZPRSA-L
XLogP-2.19
TPSA92.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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propanoate;hydrate
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CID 57352970
copper(1+);propanoate
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trisodium;propanoate
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CID 101213769

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate?
The IUPAC name of (2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate (CID 53471492) is (2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate.
What is the SMILES notation for (2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate?
The canonical SMILES for (2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate is CC[C@@]1(C(=O)[O-])O[C@@]1(CC)C(=O)[O-].
What is the InChIKey of (2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate?
The InChIKey is NQGWAXMPSOVQDK-YUMQZZPRSA-L. The full InChI is InChI=1S/C8H12O5/c1-3-7(5(9)10)8(4-2,13-7)6(11)12/h3-4H2,1-2H3,(H,9,10)(H,11,12)/p-2/t7-,8-/m0/s1.
What are the key properties of (2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate?
(2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate has a molecular weight of 186.16 g/mol, XLogP of -2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-diethyloxirane-2,3-dicarboxylate is sourced from PubChem (CID 53471492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).